Tridolgosir hydrochlorideProduct ingredient for Tridolgosir

Name
Tridolgosir hydrochloride
Drug Entry
Tridolgosir

An indolizidine alkaloid from the plant Swainsona canescens that is a potent alpha-mannosidase inhibitor. Swainsonine also exhibits antimetastatic, antiproliferative, and immunomodulatory activity.

Accession Number
DBSALT001877
Structure
Synonyms
Swainsonine HCl / Tridolgosir HCl
External IDs
GD-0039 / GD0039
UNII
78KR51ES9B
CAS Number
214462-68-7
Weight
Average: 209.67
Monoisotopic: 209.0818711
Chemical Formula
C8H16ClNO3
InChI Key
LIRVFCZWYJVKCV-XNJRRJNCSA-N
InChI
InChI=1S/C8H15NO3.ClH/c10-5-2-1-3-9-4-6(11)8(12)7(5)9;/h5-8,10-12H,1-4H2;1H/t5-,6-,7-,8-;/m1./s1
IUPAC Name
(1S,2R,8R,8aR)-octahydroindolizine-1,2,8-triol hydrochloride
SMILES
Cl.[H][C@@]12[C@H](O)[C@H](O)CN1CCC[C@H]2O
ChemSpider
8012924
ChEMBL
CHEMBL2107226
Predicted Properties
PropertyValueSource
Water Solubility1320.0 mg/mLALOGPS
logP-1.5ALOGPS
logP-1.4Chemaxon
logS0.88ALOGPS
pKa (Strongest Acidic)13.28Chemaxon
pKa (Strongest Basic)9.47Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area63.93 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity43.12 m3·mol-1Chemaxon
Polarizability18.06 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon